2'-bromo-7'-(trifluoromethyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

C16H10BrF3N2O2 — CID 59272366

IUPAC2'-bromo-7'-(trifluoromethyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESNC1=NC2(CO1)c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc12
InChIInChI=1S/C16H10BrF3N2O2/c17-9-2-4-13-11(6-9)15(7-23-14(21)22-15)10-5-8(16(18,19)20)1-3-12(10)24-13/h1-6H,7H2,(H2,21,22)
InChIKeyVZZINHKRRWUXSY-UHFFFAOYSA-N
MW399.17 g/mol
LogP4.16
Rot. Bonds

About 2'-bromo-7'-(trifluoromethyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

2'-bromo-7'-(trifluoromethyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (PubChem CID 59272366) has the molecular formula C16H10BrF3N2O2 and a molecular weight of 399.17 g/mol. Its IUPAC name is 2'-bromo-7'-(trifluoromethyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.

Molecular Properties

Compound Name2'-bromo-7'-(trifluoromethyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
PubChem CID59272366
Molecular FormulaC16H10BrF3N2O2
Molecular Weight399.17 g/mol
Exact Mass397.99
IUPAC Name2'-bromo-7'-(trifluoromethyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESNC1=NC2(CO1)c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc12
InChIInChI=1S/C16H10BrF3N2O2/c17-9-2-4-13-11(6-9)15(7-23-14(21)22-15)10-5-8(16(18,19)20)1-3-12(10)24-13/h1-6H,7H2,(H2,21,22)
InChIKeyVZZINHKRRWUXSY-UHFFFAOYSA-N
XLogP4.16
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.17
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2'-bromo-7'-(trifluoromethyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The IUPAC name of 2'-bromo-7'-(trifluoromethyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (CID 59272366) is 2'-bromo-7'-(trifluoromethyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.
What is the SMILES notation for 2'-bromo-7'-(trifluoromethyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The canonical SMILES for 2'-bromo-7'-(trifluoromethyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is NC1=NC2(CO1)c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc12.
What is the InChIKey of 2'-bromo-7'-(trifluoromethyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The InChIKey is VZZINHKRRWUXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF3N2O2/c17-9-2-4-13-11(6-9)15(7-23-14(21)22-15)10-5-8(16(18,19)20)1-3-12(10)24-13/h1-6H,7H2,(H2,21,22).
What are the key properties of 2'-bromo-7'-(trifluoromethyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
2'-bromo-7'-(trifluoromethyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine has a molecular weight of 399.17 g/mol, XLogP of 4.16, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-bromo-7'-(trifluoromethyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is sourced from PubChem (CID 59272366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).